Mol:FLIAA8GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.4488    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1075    0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6636    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6636   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2403   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8171   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8171    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2403    0.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4486   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1075   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2403   -1.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3934   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3934   -1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9448   -1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4961   -1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4961   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9448   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.1327    0.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6420    0.6264    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    0.0970   -1.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9116    1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2735    2.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22  1  1  0  0  0  0 
 18 28  1  0  0  0  0 
 11 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  CH2OH 
M  SVB   1 33   -2.9116    1.3534 
S  SKP  8 
ID	FLIAA8GS0001 
KNApSAcK_ID	C00010111 
NAME	Isogenistein 7-O-glucoside;5,7,2'-Trihydroxyisoflavone 7-O-glucoside 
CAS_RN	70943-69-0 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c1C(C(=O)2)=COc(c3)c2c(cc(O[C@H](O4)[C@@H](O)[C@@H](O)[C@@H](O)C4CO)3)O)cccc1O 
M  END